SCHEMBL2889993

SCHEMBL2889993

Cc1cccc(C2=CC3CCC(C2)N3C)c1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.63
SLC6A2 P23975 5/20 0.63
SLC6A3 Q01959 5/20 0.63
HTR6 P50406 1/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
HTR1A P08908 3/20 0.34
ACHE P22303 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2889995 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR6NOS3
Hydrochloric Acid SCHEMBL2891904 0.99 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL8207336 0.88 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL3423701 0.78 SLC6A3 (0.66) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1021448 0.78 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1021447 0.78 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1020817 0.78 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL5829586 0.78 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL5829683 0.78 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1020818 0.78 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3HTR6NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286193-A1 Novel Azabicyclo[3.2.1]Oct-2-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2010-11-11 US claimed
EP-1937261-B1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-03-03 EP claimed
EP-1937261-A1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-07-02 EP claimed
WO-2007025978-A1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-08 WO claimed
US-20100286193-A1 Novel Azabicyclo[3.2.1]Oct-2-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2010-11-11 US disclosed
EP-1937261-B1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-03-03 EP disclosed
EP-1937261-A1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-07-02 EP disclosed
WO-2007025978-A1 NOVEL AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286193-A1 Novel Azabicyclo[3.2.1]Oct-2-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC6A2, SLC18A2, SLC18A3 SLC6A4 6/4885SLC6A2 1/4885SLC6A3 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.